4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H23FN2O2 — CID 138384179

IUPAC4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCOc1cc(F)ccc1CN1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C19H23FN2O2/c1-21-8-5-15(11-19(21)23)14-6-9-22(10-7-14)13-16-3-4-17(20)12-18(16)24-2/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3
InChIKeyCMDADPLRXPYBQU-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.91
Rot. Bonds4

About 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138384179) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138384179
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCOc1cc(F)ccc1CN1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C19H23FN2O2/c1-21-8-5-15(11-19(21)23)14-6-9-22(10-7-14)13-16-3-4-17(20)12-18(16)24-2/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3
InChIKeyCMDADPLRXPYBQU-UHFFFAOYSA-N
XLogP2.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138378268
1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138385382
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
CID 138387811
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138380022
(4R,5R)-7-[(4-fluoro-2-methoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424895
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138384179) is 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one is COc1cc(F)ccc1CN1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is CMDADPLRXPYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21-8-5-15(11-19(21)23)14-6-9-22(10-7-14)13-16-3-4-17(20)12-18(16)24-2/h3-5,8,11-12,14H,6-7,9-10,13H2,1-2H3.
What are the key properties of 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 330.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138384179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).